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Showing metabocard for Dipropyl disulfide (HMDB0031472)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:43:32 UTC
Update Date2023-02-21 17:20:35 UTC
HMDB IDHMDB0031472
Secondary Accession Numbers
  • HMDB31472
Metabolite Identification
Common NameDipropyl disulfide
DescriptionDipropyl disulfide, also known as 1,1'-dithiodipropane or 4,5-dithiaoctane, belongs to the class of organic compounds known as dialkyldisulfides. These are organic compounds containing a disulfide group R-SS-R' where R and R' are both alkyl groups. Dipropyl disulfide is possibly neutral. Dipropyl disulfide is a burnt, earthy, and green tasting compound. Dipropyl disulfide has been detected, but not quantified, in several different foods, such as chives, cabbages, garden onions, nuts, and brassicas.
Structure
Data?1677000035
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0031472 (Dipropyl disulfide)


  Mrv1652305271900102D          

  8  7  0  0  0  0            999 V2000
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
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3D MOL for HMDB0031472 (Dipropyl disulfide)

HMDB0031472
     RDKit          3D
Dipropyl disulfide
 22 21  0  0  0  0  0  0  0  0999 V2000
    3.8443    0.4826    0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8740   -0.6599    0.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6975   -0.3896   -0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141    1.0168   -0.1414 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4738    0.5423    1.5432 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0997   -0.0323    1.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5893    0.6364   -0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6997   -0.2480   -0.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4434    1.3485   -0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8065    0.2074   -0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0770    0.8658    1.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435   -0.8266    1.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3843   -1.5645   -0.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0971   -1.2996   -0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1326   -0.1014   -1.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1783   -1.1275    0.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8156    0.2578    1.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7783    0.7162   -0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0095    1.6527   -0.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0749   -0.9556   -0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5712    0.3429   -1.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3238   -0.8645   -1.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
M  END
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3D SDF for HMDB0031472 (Dipropyl disulfide)


  Mrv1652305271900102D          

  8  7  0  0  0  0            999 V2000
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0031472

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCSSCCC

> <INCHI_IDENTIFIER>
InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3

> <INCHI_KEY>
ALVPFGSHPUPROW-UHFFFAOYSA-N

> <FORMULA>
C6H14S2

> <MOLECULAR_WEIGHT>
150.305

> <EXACT_MASS>
150.053691828

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
18.06968641559391

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(propyldisulfanyl)propane

> <ALOGPS_LOGP>
3.57

> <JCHEM_LOGP>
3.057267896

> <ALOGPS_LOGS>
-3.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
45.6368

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.45e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
propyl disulfide

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0031472 (Dipropyl disulfide)

HMDB0031472
     RDKit          3D
Dipropyl disulfide
 22 21  0  0  0  0  0  0  0  0999 V2000
    3.8443    0.4826    0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8740   -0.6599    0.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6975   -0.3896   -0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141    1.0168   -0.1414 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4738    0.5423    1.5432 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0997   -0.0323    1.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5893    0.6364   -0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6997   -0.2480   -0.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4434    1.3485   -0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8065    0.2074   -0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0770    0.8658    1.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435   -0.8266    1.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3843   -1.5645   -0.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0971   -1.2996   -0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1326   -0.1014   -1.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1783   -1.1275    0.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8156    0.2578    1.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7783    0.7162   -0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0095    1.6527   -0.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0749   -0.9556   -0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5712    0.3429   -1.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3238   -0.8645   -1.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
M  END
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PDB for HMDB0031472 (Dipropyl disulfide)

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  C   UNK     0      -0.357   1.334   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.978   2.104   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.976   2.104   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.645   1.334   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.311   2.104   0.000  0.00  0.00           C+0
HETATM    7  S   UNK     0       3.644   2.104   0.000  0.00  0.00           S+0
HETATM    8  S   UNK     0       4.977   1.334   0.000  0.00  0.00           S+0
CONECT    1    3                                                            
CONECT    2    4                                                            
CONECT    3    1    5                                                       
CONECT    4    2    6                                                       
CONECT    5    3    7                                                       
CONECT    6    4    8                                                       
CONECT    7    5    8                                                       
CONECT    8    6    7                                                       
MASTER        0    0    0    0    0    0    0    0    8    0   14    0
END
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3D PDB for HMDB0031472 (Dipropyl disulfide)

COMPND    HMDB0031472
HETATM    1  C1  UNL     1       3.844   0.483   0.122  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.874  -0.660   0.221  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.697  -0.390  -0.698  1.00  0.00           C  
HETATM    4  S1  UNL     1       0.714   1.017  -0.141  1.00  0.00           S  
HETATM    5  S2  UNL     1      -0.474   0.542   1.543  1.00  0.00           S  
HETATM    6  C4  UNL     1      -2.100  -0.032   1.030  1.00  0.00           C  
HETATM    7  C5  UNL     1      -2.589   0.636  -0.235  1.00  0.00           C  
HETATM    8  C6  UNL     1      -3.700  -0.248  -0.790  1.00  0.00           C  
HETATM    9  H1  UNL     1       3.443   1.348  -0.456  1.00  0.00           H  
HETATM   10  H2  UNL     1       4.806   0.207  -0.338  1.00  0.00           H  
HETATM   11  H3  UNL     1       4.077   0.866   1.139  1.00  0.00           H  
HETATM   12  H4  UNL     1       2.544  -0.827   1.263  1.00  0.00           H  
HETATM   13  H5  UNL     1       3.384  -1.565  -0.170  1.00  0.00           H  
HETATM   14  H6  UNL     1       1.097  -1.300  -0.886  1.00  0.00           H  
HETATM   15  H7  UNL     1       2.133  -0.101  -1.688  1.00  0.00           H  
HETATM   16  H8  UNL     1      -2.178  -1.127   0.934  1.00  0.00           H  
HETATM   17  H9  UNL     1      -2.816   0.258   1.841  1.00  0.00           H  
HETATM   18  H10 UNL     1      -1.778   0.716  -0.978  1.00  0.00           H  
HETATM   19  H11 UNL     1      -3.010   1.653  -0.036  1.00  0.00           H  
HETATM   20  H12 UNL     1      -4.075  -0.956  -0.007  1.00  0.00           H  
HETATM   21  H13 UNL     1      -4.571   0.343  -1.130  1.00  0.00           H  
HETATM   22  H14 UNL     1      -3.324  -0.864  -1.626  1.00  0.00           H  
CONECT    1    2    9   10   11
CONECT    2    3   12   13
CONECT    3    4   14   15
CONECT    4    5
CONECT    5    6
CONECT    6    7   16   17
CONECT    7    8   18   19
CONECT    8   20   21   22
END
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SMILES for HMDB0031472 (Dipropyl disulfide)

CCCSSCCC
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INCHI for HMDB0031472 (Dipropyl disulfide)

InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
1,1'-DithiodipropaneChEBI
4,5-DithiaoctaneChEBI
Di-N-propyl disulfideChEBI
Dipropyl disulphideChEBI
N-Propyl disulfideChEBI
Propyl disulfideChEBI
Di-N-propyl disulphideGenerator
N-Propyl disulphideGenerator
Propyl disulphideGenerator
Disulfide, dipropylHMDB
FEMA 3228HMDB
PropyldithiopropaneHMDB
Chemical FormulaC6H14S2
Average Molecular Weight150.305
Monoisotopic Molecular Weight150.053691828
IUPAC Name1-(propyldisulfanyl)propane
Traditional Namepropyl disulfide
CAS Registry Number629-19-6
SMILES
CCCSSCCC
InChI Identifier
InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
InChI KeyALVPFGSHPUPROW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dialkyldisulfides. These are organic compounds containing a disulfide group R-SS-R' where R and R' are both alkyl groups.
KingdomOrganic compounds
Super ClassOrganosulfur compounds
ClassOrganic disulfides
Sub ClassDialkyldisulfides
Direct ParentDialkyldisulfides
Alternative Parents
Substituents
  • Dialkyldisulfide
  • Sulfenyl compound
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological roleIndustrial application
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point-85.6 °CNot Available
Boiling Point193.00 to 195.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility39.94 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP4.188 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.14 g/LALOGPS
logP3.57ALOGPS
logP3.06ChemAxon
logS-3ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity45.64 m³·mol⁻¹ChemAxon
Polarizability18.07 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+131.95131661259
DarkChem[M-H]-128.10431661259
DeepCCS[M+H]+133.30230932474
DeepCCS[M-H]-131.20230932474
DeepCCS[M-2H]-166.81330932474
DeepCCS[M+Na]+141.73930932474
AllCCS[M+H]+132.732859911
AllCCS[M+H-H2O]+128.932859911
AllCCS[M+NH4]+136.332859911
AllCCS[M+Na]+137.332859911
AllCCS[M-H]-142.332859911
AllCCS[M+Na-2H]-145.732859911
AllCCS[M+HCOO]-149.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Dipropyl disulfideCCCSSCCC1383.4Standard polar33892256
Dipropyl disulfideCCCSSCCC1084.5Standard non polar33892256
Dipropyl disulfideCCCSSCCC1123.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Dipropyl disulfide EI-B (Non-derivatized)splash10-0006-9300000000-338033b829d5247885cd2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Dipropyl disulfide EI-B (Non-derivatized)splash10-0006-9300000000-338033b829d5247885cd2018-05-18HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dipropyl disulfide GC-MS (Non-derivatized) - 70eV, Positivesplash10-002f-9200000000-d6953da6d396c7f0ef412017-07-27Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dipropyl disulfide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-0006-9300000000-7b05b56ec8e21eba8e9d2015-03-01Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dipropyl disulfide 10V, Positive-QTOFsplash10-0udi-3900000000-63bc45c91dfe815e889d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dipropyl disulfide 20V, Positive-QTOFsplash10-054o-9400000000-4928ea94d9faebe2629f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dipropyl disulfide 40V, Positive-QTOFsplash10-002f-9000000000-3d79328158d4297b53242016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dipropyl disulfide 10V, Negative-QTOFsplash10-0002-1900000000-aa1450d67676f52cdbcf2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dipropyl disulfide 20V, Negative-QTOFsplash10-00b9-9200000000-d494e8f771a82f0ba8962016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dipropyl disulfide 40V, Negative-QTOFsplash10-0006-9200000000-2f784615879a49bbf1a82016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dipropyl disulfide 10V, Negative-QTOFsplash10-006t-8900000000-e05b6a52479a4b8ef0fb2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dipropyl disulfide 20V, Negative-QTOFsplash10-00di-9000000000-02aa4feb614e5c0f04aa2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dipropyl disulfide 40V, Negative-QTOFsplash10-03k9-9000000000-401d3dafed03802faefe2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dipropyl disulfide 10V, Positive-QTOFsplash10-0a6r-9600000000-b984ea77829f0a61120b2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dipropyl disulfide 20V, Positive-QTOFsplash10-004i-9000000000-6103c0da13e3a6d3e1f32021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dipropyl disulfide 40V, Positive-QTOFsplash10-002f-9000000000-a85de1beef4f9f6f655c2021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB008045
KNApSAcK IDC00001247
Chemspider ID11871
KEGG Compound IDC08373
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound12377
PDB IDSSP
ChEBI ID45758
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1035611
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .